N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C22H24N4O3S — CID 22332553

IUPACN-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-28-15-9-10-18(19(13-15)29-2)23-20(27)14-30-22-21(26-11-5-6-12-26)24-16-7-3-4-8-17(16)25-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27)
InChIKeyLVQLHMCDJZJAPO-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.98
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332553) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332553
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-28-15-9-10-18(19(13-15)29-2)23-20(27)14-30-22-21(26-11-5-6-12-26)24-16-7-3-4-8-17(16)25-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27)
InChIKeyLVQLHMCDJZJAPO-UHFFFAOYSA-N
XLogP3.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991418
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1402946
N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
CID 2452347
N-(2-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991426
N-(4-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991435
N-(2,4-Dimethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991440
N-(2-Methoxy-5-methylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991441
N-(5-Chloro-2-methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991454
N-(3-methoxyphenyl)-2-[(3-morpholin-4-ylquinoxalin-2-yl)thio]acetamide
CID 15991460
N-(4-Methoxyphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332528
N-(3-Methoxyphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332561
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CID 22332562

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332553) is N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is LVQLHMCDJZJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-15-9-10-18(19(13-15)29-2)23-20(27)14-30-22-21(26-11-5-6-12-26)24-16-7-3-4-8-17(16)25-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 424.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).